5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene

C10H17O4P — CID 23280171

IUPAC5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene
SMILESC=C1C=C(C(C)C)OP12(OC)OCCO2
InChIInChI=1S/C10H17O4P/c1-8(2)10-7-9(3)15(11-4,14-10)12-5-6-13-15/h7-8H,3,5-6H2,1-2,4H3
InChIKeyBNPLSYODKUFDRX-UHFFFAOYSA-N
MW232.22 g/mol
LogP2.98
Rot. Bonds2

About 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene

5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene (PubChem CID 23280171) has the molecular formula C10H17O4P and a molecular weight of 232.22 g/mol. Its IUPAC name is 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene.

Molecular Properties

Compound Name5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene
PubChem CID23280171
Molecular FormulaC10H17O4P
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene
SMILESC=C1C=C(C(C)C)OP12(OC)OCCO2
InChIInChI=1S/C10H17O4P/c1-8(2)10-7-9(3)15(11-4,14-10)12-5-6-13-15/h7-8H,3,5-6H2,1-2,4H3
InChIKeyBNPLSYODKUFDRX-UHFFFAOYSA-N
XLogP2.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trimethoxy-3-methylidene-5-propan-2-yl-1,2lambda5-oxaphosphole
CID 23418981

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene?
The IUPAC name of 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene (CID 23280171) is 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene.
What is the SMILES notation for 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene?
The canonical SMILES for 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene is C=C1C=C(C(C)C)OP12(OC)OCCO2.
What is the InChIKey of 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene?
The InChIKey is BNPLSYODKUFDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O4P/c1-8(2)10-7-9(3)15(11-4,14-10)12-5-6-13-15/h7-8H,3,5-6H2,1-2,4H3.
What are the key properties of 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene?
5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene has a molecular weight of 232.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methylidene-7-propan-2-yl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene is sourced from PubChem (CID 23280171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).